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Home Other Building Blocks 1654820-87-7
1654820-87-7,MFCD32067648
Catalog No.:AA00AQY1

1654820-87-7 | Dihydrodiol Ibrutinib

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95% (mixture of diastereomers)
in stock  
$105.00   $73.00
- +
5mg
≥95% (mixture of diastereomers)
in stock  
$386.00   $270.00
- +
10mg
≥95% (mixture of diastereomers)
in stock  
$719.00   $503.00
- +
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00AQY1
Chemical Name:
Dihydrodiol Ibrutinib
CAS Number:
1654820-87-7
Molecular Formula:
C50H51N12O8
Molecular Weight:
948.0155
MDL Number:
MFCD32067648
SMILES:
OCC(C(=[O]c1cc(ccc1c1nn(c2c1c(N)ncn2)[C@@H]1CCCN(C1)C(=O)C(CO)O)Oc1ccccc1)N1CCC[C@H](C1)n1nc(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1)O
Properties
Computed Properties
 
Complexity:
701  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.7  

Literature

Title: Absorption, metabolism, and excretion of oral ¹⁴C radiolabeled ibrutinib: an open-label, phase I, single-dose study in healthy men.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20150201

Title: Sridhar Veeraraghavan,et al. Simultaneous quantification of lenalidomide, ibrutinib and its active metabolite PCI-45227 in rat plasma by LC-MS/MS: application to a pharmacokinetic study. J Pharm Biomed Anal

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SDS
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